ER-811475

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H60O13
Molecular Weight	748.8966
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC(=C)[C@]([H])(CC[C@@]3([H])C[C@@H](C)C(=C)[C@@]([H])(C[C@]4([H])O[C@H](C[C@H](O)CO)[C@H](OC)[C@@]4([H])CC(=O)C[C@@]5([H])CC[C@]6([H])O[C@@]7([H])[C@@H](O)[C@@]([H])(CC(=O)CC1)O[C@@]7([H])[C@@H](O)[C@@]6([H])O5)O3)O2

InChI

InChIKey=DRIHUUFRFITXNV-XXZFRVJGSA-N

InChI=1S/C40H60O13/c1-19-11-26-7-9-29-20(2)12-25(48-29)6-5-22(42)15-33-35(45)39-40(53-33)36(46)38-30(52-39)10-8-27(50-38)13-23(43)14-28-32(17-31(49-26)21(19)3)51-34(37(28)47-4)16-24(44)18-41/h19,24-41,44-46H,2-3,5-18H2,1,4H3/t19-,24+,25+,26+,27-,28+,29+,30+,31-,32+,33-,34-,35+,36+,37-,38+,39+,40+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H60O13
Molecular Weight	748.8966
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:59:09 GMT 2023` Edited by `admin` on `Sat Dec 16 19:59:09 GMT 2023`
Record UNII	8426RBM6V9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ER-811475

Code

English

(2R,3R,3aS,7R,10S,11R,12S,13S,14S,15S,16R,21S,24S,27S,29R,31R,32aS)-2-[(2S)-2,3-dihydroxypropyl]octacosahydro-12,15-dihydroxy-3-methoxy-29-methyl-23,30-bis(methylene)-7,11:10,14:13,16:21,24:27,31-Pentaepoxy-2H-cyclohentriaconta[b]furan-5,18(3H,4H)-dione

Systematic Name

English

7,11:10,14:13,16:21,24:27,31-Pentaepoxy-2H-cyclohentriaconta[b]furan-5,18(3H,4H)-dione, 2-[(2S)-2,3-dihydroxypropyl]octacosahydro-12,15-dihydroxy-3-methoxy-29-methyl-23,30-bis(methylene)-, (2R,3R,3aS,7R,10S,11R,12S,13S,14S,15S,16R,21S,24S,27S,29R,31R,32a

Systematic Name

English

ER811475

Code

English

Code System Code Type Description

CAS

728043-99-0

Created by admin on Sat Dec 16 19:59:09 GMT 2023 , Edited by admin on Sat Dec 16 19:59:09 GMT 2023

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FDA UNII

8426RBM6V9

Created by admin on Sat Dec 16 19:59:09 GMT 2023 , Edited by admin on Sat Dec 16 19:59:09 GMT 2023

PRIMARY

PUBCHEM

122546470

Created by admin on Sat Dec 16 19:59:09 GMT 2023 , Edited by admin on Sat Dec 16 19:59:09 GMT 2023

PRIMARY