CABRALEONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H50O3
Molecular Weight	458.7162
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@]2(C)[C@]1([H])CC[C@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@@]23C)[C@]5(C)CC[C@H](O5)C(C)(C)O

InChI

InChIKey=XSQYWMLMQVUWSF-FXFLHSNUSA-N

InChI=1S/C30H50O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-22,24,32H,9-18H2,1-8H3/t19-,20+,21+,22-,24+,27+,28-,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H50O3
Molecular Weight	458.7162
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:01:27 GMT 2023` Edited by `admin` on `Sat Dec 16 13:01:27 GMT 2023`
Record UNII	N263H3VAJ6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CABRALEONE

Common Name

English

OCOTILLONE

Common Name

English

(24S)-20,24-EPOXY-25-HYDROXYDAMMARAN-3-ONE

Systematic Name

English

OCOTILLONE-

Common Name

English

17-(5-(2-HYDROXYPROPAN-2-YL)-2-METHYLOXOLAN-2-YL)-4,4,8,10,14-PENTAMETHYL-1,2,5,6,7,9,11,12,13,15,16,17-DODECAHYDROCYCLOPENTA(A)PHENANTHREN-3-ONE

Systematic Name

English

DAMMARAN-3-ONE, 20,24-EPOXY-25-HYDROXY-, (24S)-

Systematic Name

English

(5R,8R,9R,10R,13R,14R,17S)-17-((2S,5S)-5-(1-HYDROXY-1-METHYL-ETHYL)-2-METHYL-TETRAHYDROFURAN-2-YL)-4,4,8,10,14-PENTAMETHYL-1,2,5,6,7,9,11,12,13,15,16,17-DODECAHYDROCYCLOPENTA(A)PHENANTHREN-3-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

N263H3VAJ6

Created by admin on Sat Dec 16 13:01:27 GMT 2023 , Edited by admin on Sat Dec 16 13:01:27 GMT 2023

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CAS

35761-54-7

Created by admin on Sat Dec 16 13:01:27 GMT 2023 , Edited by admin on Sat Dec 16 13:01:27 GMT 2023

PRIMARY

PUBCHEM

21625900

Created by admin on Sat Dec 16 13:01:27 GMT 2023 , Edited by admin on Sat Dec 16 13:01:27 GMT 2023

PRIMARY