Cas no 163597-03-3 (1H-Benz[4,5]indeno[2,1-d]isoindole-1,13(2H)-dione,3,3a,4,6a,6b,8a,9,10,11,12,12a,12b-dodecahydro-3-hydroxy-3-[(4-hydroxyphenyl)methyl]-4,5,6a,7,8a,10-hexamethyl-,(3R,3aR,4S,6aR,6bS,8aR,10S,12aS,12bS,13aR)- (9CI))

1H-Benz[4,5]indeno[2,1-d]isoindole-1,13(2H)-dione,3,3a,4,6a,6b,8a,9,10,11,12,12a,12b-dodecahydro-3-hydroxy-3-[(4-hydroxyphenyl)methyl]-4,5,6a,7,8a,10-hexamethyl-,(3R,3aR,4S,6aR,6bS,8aR,10S,12aS,12bS,13aR)- (9CI) structure
163597-03-3 structure
Product Name:1H-Benz[4,5]indeno[2,1-d]isoindole-1,13(2H)-dione,3,3a,4,6a,6b,8a,9,10,11,12,12a,12b-dodecahydro-3-hydroxy-3-[(4-hydroxyphenyl)methyl]-4,5,6a,7,8a,10-hexamethyl-,(3R,3aR,4S,6aR,6bS,8aR,10S,12aS,12bS,13aR)- (9CI)
CAS No:163597-03-3
MF:C32H41NO4
MW:503.672249555588
CID:203847
Update Time:2024-03-01

1H-Benz[4,5]indeno[2,1-d]isoindole-1,13(2H)-dione,3,3a,4,6a,6b,8a,9,10,11,12,12a,12b-dodecahydro-3-hydroxy-3-[(4-hydroxyphenyl)methyl]-4,5,6a,7,8a,10-hexamethyl-,(3R,3aR,4S,6aR,6bS,8aR,10S,12aS,12bS,13aR)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1H-Benz[4,5]indeno[2,1-d]isoindole-1,13(2H)-dione,3,3a,4,6a,6b,8a,9,10,11,12,12a,12b-dodecahydro-3-hydroxy-3-[(4-hydroxyphenyl)methyl]-4,5,6a,7,8a,10-hexamethyl-,(3R,3aR,4S,6aR,6bS,8aR,10S,12aS,12bS,13aR)- (9CI)
    • 1H-Benz[4,5]indeno[2,1-d]isoindole-1,13(2H)-dione,3,3a,4,6a,6b,8a,9,10,11,12,12a,12b-dodecahydro-3-hydroxy-3-[(4-hydroxypheny
    • 1H-Benz[4,5]indeno[2,1-d]isoindole-1,13(2H)-dione,3,3a,4,6a,6b,8a,9,10,11,12,12a,12b-dodecahydro-3-hydroxy-3-[(4-hydroxyphenyl)methyl]-4,5,6a,7,8a,10-hexamethyl-,(3R,3aR,4S,6aR,6bS,8aR,10S,12aS,12bS,1
    • 1H-Benz[4,5]indeno[2,1-d]isoindole-1,13(2H)-dione,3,3a,4,6a,6b,8a,9,10,11,12,12a,12b-dodecahydro-3-hydroxy-3-[(4-hydroxyphenyl)methyl]-4,5,6a,7,8a,10-hexamethyl-,[3R-(3a,3ab,4a,6ab,6bb,8ab,10b,12aa,12bb,13aR*)]-
    • Phomopsichalasin
    • Diaporthichalasin
    • Inchi： 1S/C32H41NO4/c1-17-7-12-23-24-25(19(3)14-29(23,5)13-17)30(6)15-18(2)20(4)26-31(37,16-21-8-10-22(34)11-9-21)33-28(36)32(26,30)27(24)35/h8-11,14-15,17,20,23-26,34,37H,7,12-13,16H2,1-6H3,(H,33,36)/t17-,20+,23-,24-,25+,26-,29-,30+,31+,32-/m0/s1
    • InChI Key： AEKBQYOSHUYACR-AHWJCDHHSA-N
    • SMILES： C[C@@H]1C[C@@]2([C@H]([C@@H]3C(=O)[C@@]45[C@](C)(C=C(C)[C@@H](C)[C@H]4[C@](O)(CC4C=CC(O)=CC=4)NC5=O)[C@@H]3C(C)=C2)CC1)C

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 37
  • XLogP3: 5.096

1H-Benz[4,5]indeno[2,1-d]isoindole-1,13(2H)-dione,3,3a,4,6a,6b,8a,9,10,11,12,12a,12b-dodecahydro-3-hydroxy-3-[(4-hydroxyphenyl)methyl]-4,5,6a,7,8a,10-hexamethyl-,(3R,3aR,4S,6aR,6bS,8aR,10S,12aS,12bS,13aR)- (9CI) Related Literature

Related Categories

163597-03-3 (1H-Benz[4,5]indeno[2,1-d]isoindole-1,13(2H)-dione,3,3a,4,6a,6b,8a,9,10,11,12,12a,12b-dodecahydro-3-hydroxy-3-[(4-hydroxyphenyl)methyl]-4,5,6a,7,8a,10-hexamethyl-,(3R,3aR,4S,6aR,6bS,8aR,10S,12aS,12bS,13aR)- (9CI)) Related Products

Recommended suppliers
鉅瀾化工科技(青島)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
鉅瀾化工科技(青島)有限公司
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.