STYPOTRIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H40O4
Molecular Weight	428.6041
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]14CC5=C(O4)C(C)=CC(O)=C5O

InChI

InChIKey=HJSZCMVJNUBOQM-JZFVXYNCSA-N

InChI=1S/C27H40O4/c1-15-13-18(28)22(30)17-14-27(31-23(15)17)16(2)7-8-20-25(5)11-10-21(29)24(3,4)19(25)9-12-26(20,27)6/h13,16,19-21,28-30H,7-12,14H2,1-6H3/t16-,19-,20+,21-,25-,26+,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H40O4
Molecular Weight	428.6041
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:12:07 GMT 2025` Edited by `admin` on `Mon Mar 31 23:12:07 GMT 2025`
Record UNII	E53KF1HF9R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-STYPOTRIOL

Preferred Name

English

STYPOTRIOL

Common Name

English

16,24-CYCLO-13,17-SECOCHOLA-16,20(22),23-TRIENE-3,23,24-TRIOL, 14,17-EPOXY-4,4,8-TRIMETHYL-, (3.BETA.,5.ALPHA.,13.ALPHA.)-

Systematic Name

English

SPIRO(BENZOFURAN-2(3H),1'(2'H)-PHENANTHRENE)-4,5,7'-TRIOL, 3',4',4'A,4'B,5',6',7',8',8'A,9',10',10'A-DODECAHYDRO-2',4'B,7,8',8',10'A-HEXAMETHYL-, (1'S-(1'.ALPHA.,2'.ALPHA.,4'A.ALPHA.,4'B.BETA.,7'.BETA.,8'A.ALPHA.,10'A.BETA.))-

Systematic Name

English

SPIRO(BENZOFURAN-2(3H),1'(2'H)-PHENANTHRENE)-4,5,7'-TRIOL, 3',4',4'A,4'B,5',6',7',8',8'A,9',10',10'A-DODECAHYDRO-2',4'B,7,8',8',10'A-HEXAMETHYL-, (1'S,2'S,4'AR,4'BS,7'S,8'AR,10'AR)-

Systematic Name

English

Code System Code Type Description

FDA UNII

E53KF1HF9R

Created by admin on Mon Mar 31 23:12:07 GMT 2025 , Edited by admin on Mon Mar 31 23:12:07 GMT 2025

PRIMARY

CAS

71106-25-7

Created by admin on Mon Mar 31 23:12:07 GMT 2025 , Edited by admin on Mon Mar 31 23:12:07 GMT 2025

PRIMARY

PUBCHEM

23424859

Created by admin on Mon Mar 31 23:12:07 GMT 2025 , Edited by admin on Mon Mar 31 23:12:07 GMT 2025

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EPA CompTox

DTXSID30991417

Created by admin on Mon Mar 31 23:12:07 GMT 2025 , Edited by admin on Mon Mar 31 23:12:07 GMT 2025

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