Estradiol distearate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C54H92O4
Molecular Weight	805.3059
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(C=CC(OC(=O)CCCCCCCCCCCCCCCCC)=C4)[C@H]3CC[C@]12C

InChI

InChIKey=BBBPCTNBNYFUOV-NXCWIAOISA-N

InChI=1S/C54H92O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-52(55)57-46-37-39-47-45(44-46)36-38-49-48(47)42-43-54(3)50(49)40-41-51(54)58-53(56)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37,39,44,48-51H,4-36,38,40-43H2,1-3H3/t48-,49-,50+,51+,54+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C54H92O4
Molecular Weight	805.3059
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 17:36:13 GMT 2023` Edited by `admin` on `Sat Dec 16 17:36:13 GMT 2023`
Record UNII	B8HEM55UGK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Estradiol distearate

Common Name

English

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3,17-dioctadecanoate

Systematic Name

English

Estra-1,3,5(10)-triene-3,17-diol (17β)-, dioctadecanoate

Systematic Name

English

Code System Code Type Description

CAS

126144-03-4