Cas no 3872-98-8 (1-Phenanthrenecarboxylicacid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI))

1-Phenanthrenecarboxylicacid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI) structure
3872-98-8 structure
Product Name:1-Phenanthrenecarboxylicacid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI)
CAS No:3872-98-8
MF:C21H36O2
MW:320.509346961975
CID:314529
PubChem ID:89248
Update Time:2025-04-19

1-Phenanthrenecarboxylicacid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1-Phenanthrenecarboxylicacid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI)
    • 1-Phenanthrenecarboxylicacid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (
    • Abietan-18-saeuremethylester
    • all-trans-Tetrahydro-(-)-abietinsaeure-methylester
    • 3872-98-8
    • DTXSID10864913
    • Methyl abietan-18-oate
    • SCHEMBL22981970
    • methyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate
    • NSC-126264
    • NS00048705
    • Podocarpan-15-oic acid, 13-isopropyl-, methyl ester
    • FJHHBOWEISXQJX-UHFFFAOYSA-N
    • NSC126264
    • 1-Phenanthrenecarboxylic acid,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,7.alpha.,8a.beta.,10a.alpha.)]-
    • Inchi： 1S/C21H36O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h14-18H,6-13H2,1-5H3
    • InChI Key： FJHHBOWEISXQJX-UHFFFAOYSA-N
    • SMILES： O(C)C(C1(C)CCCC2(C)C1CCC1CC(C(C)C)CCC21)=O

Computed Properties

  • Exact Mass: 320.27200
  • Monoisotopic Mass: 320.272
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 457
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.9
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 0.961g/cm3
  • Boiling Point: 351.9oC at 760mmHg
  • Flash Point: 179.9oC
  • PSA: 26.30000
  • LogP: 5.45440

1-Phenanthrenecarboxylicacid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI) Related Literature

3872-98-8 (1-Phenanthrenecarboxylicacid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI)) Related Products

Recommended suppliers
SunaTech Inc.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
SunaTech Inc.
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
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
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.