Cas no 64999-57-1 (9H-5b,8-Ethano-4H,6H,8H-benzofuro[7,6-h]furo[4,3,2-de]oxireno[g][2]benzopyran-9-one,3-(dimethylamino)decahydro-8-hydroxy-3a,8a-dimethyl-,(3R,3aS,5aS,5bR,8S,8aR,8bR,10aS,10bS,11aS,11bR)- (9CI))
![9H-5b,8-Ethano-4H,6H,8H-benzofuro[7,6-h]furo[4,3,2-de]oxireno[g][2]benzopyran-9-one,3-(dimethylamino)decahydro-8-hydroxy-3a,8a-dimethyl-,(3R,3aS,5aS,5bR,8S,8aR,8bR,10aS,10bS,11aS,11bR)- (9CI) structure](https://ossimg.kuujia.com/scimg/65000/64999-57-1x500.png)
64999-57-1 structure
Product Name:9H-5b,8-Ethano-4H,6H,8H-benzofuro[7,6-h]furo[4,3,2-de]oxireno[g][2]benzopyran-9-one,3-(dimethylamino)decahydro-8-hydroxy-3a,8a-dimethyl-,(3R,3aS,5aS,5bR,8S,8aR,8bR,10aS,10bS,11aS,11bR)- (9CI)
CAS No:64999-57-1
MF:C22H31NO6
MW:405.484647035599
CID:521731
Update Time:2025-04-19
9H-5b,8-Ethano-4H,6H,8H-benzofuro[7,6-h]furo[4,3,2-de]oxireno[g][2]benzopyran-9-one,3-(dimethylamino)decahydro-8-hydroxy-3a,8a-dimethyl-,(3R,3aS,5aS,5bR,8S,8aR,8bR,10aS,10bS,11aS,11bR)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 9H-5b,8-Ethano-4H,6H,8H-benzofuro[7,6-h]furo[4,3,2-de]oxireno[g][2]benzopyran-9-one,3-(dimethylamino)decahydro-8-hydroxy-3a,8a-dimethyl-,(3R,3aS,5aS,5bR,8S,8aR,8bR,10aS,10bS,11aS,11bR)- (9CI)
- (9β,13α)-17β-Dimethylamino-3,19:7β,8-diepoxy-3β,6β-dihydroxy-4-methyl-15-oxa-5α-androstane-4β-carboxylic acid 4,6-lactone
- Icacine
-
- Inchi： 1S/C22H31NO6/c1-18-6-5-11-20-7-8-21(25,27-10-20)19(2)14(20)13(28-17(19)24)15-22(11,29-15)16(18)26-9-12(18)23(3)4/h11-16,25H,5-10H2,1-4H3
- InChI Key： VSTATNJCZCHFTM-UHFFFAOYSA-N
- SMILES： CN(C1C2(C(C34C(CC2)C25COC(C6(C2C(OC6=O)C3O4)C)(O)CC5)OC1)C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 29
- XLogP3: 0.32
9H-5b,8-Ethano-4H,6H,8H-benzofuro[7,6-h]furo[4,3,2-de]oxireno[g][2]benzopyran-9-one,3-(dimethylamino)decahydro-8-hydroxy-3a,8a-dimethyl-,(3R,3aS,5aS,5bR,8S,8aR,8bR,10aS,10bS,11aS,11bR)- (9CI) Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
64999-57-1 (9H-5b,8-Ethano-4H,6H,8H-benzofuro[7,6-h]furo[4,3,2-de]oxireno[g][2]benzopyran-9-one,3-(dimethylamino)decahydro-8-hydroxy-3a,8a-dimethyl-,(3R,3aS,5aS,5bR,8S,8aR,8bR,10aS,10bS,11aS,11bR)- (9CI)) Related Products
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