KARAVILAGENIN E

Details

Stereochemistry	EPIMERIC
Molecular Formula	C30H48O3
Molecular Weight	456.7003
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](CC(O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C

InChI

InChIKey=BZKMSMPQWDQSDS-LKOBDAQCSA-N

InChI=1S/C30H48O3/c1-19(2)16-21(31)17-20(3)22-10-12-28(7)23-11-13-30-24(8-9-25(32)26(30,4)5)29(23,18-33-30)15-14-27(22,28)6/h11,13,16,20-25,31-32H,8-10,12,14-15,17-18H2,1-7H3/t20-,21?,22-,23+,24+,25+,27-,28+,29+,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H48O3
Molecular Weight	456.7003
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:14:54 GMT 2025` Edited by `admin` on `Wed Apr 02 09:14:54 GMT 2025`
Record UNII	RSQ68AYN9R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KARAVILAGENIN E

Common Name

English

(.GAMMA.R,3S,5R,8S,9S,10S,13R,14S,17R)-1,3,4,8,10,11,12,13,14,15,16,17-DODECAHYDRO-3-HYDROXY-.GAMMA.,4,4,13,14-PENTAMETHYL-.ALPHA.-(2-METHYL-1-PROPENYL)-5,9-(EPOXYMETHANO)-2H-CYCLOPENTA(A)PHENANTHRENE-17-PROPANOL

Preferred Name

English

5,9-(Epoxymethano)-2H-cyclopenta[a]phenanthrene-17-propanol, 1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-3-hydroxy-?,4,4,13,14-pentamethyl-?-(2-methyl-1-propenyl)-, (?R,3S,5R,8S,9S,10S,13R,14S,17R)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80735207