ESTRA-1,3,5(10)-TRIENE-3,16.ALPHA.-DIOL, DIPROPIONATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H32O4
Molecular Weight	384.5085
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESTRA-1,3,5(10)-TRIENE-3,16.ALPHA.-DIOL, DIPROPIONATE

Structure Search

SMILES

[H][C@@]12C[C@H](C[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OC(=O)CC)C=C4)OC(=O)CC

InChI

InChIKey=SPPGAQTVRFMVLJ-ISPHGWFKSA-N

InChI=1S/C24H32O4/c1-4-22(25)27-16-7-9-18-15(12-16)6-8-20-19(18)10-11-24(3)14-17(13-21(20)24)28-23(26)5-2/h7,9,12,17,19-21H,4-6,8,10-11,13-14H2,1-3H3/t17-,19-,20-,21+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H32O4
Molecular Weight	384.5085
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:19:25 GMT 2023` Edited by `admin` on `Sat Dec 16 08:19:25 GMT 2023`
Record UNII	9W77Z05VCU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRA-1,3,5(10)-TRIENE-3,16.ALPHA.-DIOL, DIPROPIONATE

Systematic Name

English

ESTRA-1,3,5(10)-TRIENE-3,16.ALPHA.-DIOL,DIPROPIONATE

Common Name

English

NSC-24550

Code

English

Code System Code Type Description

EPA CompTox

DTXSID70282114