CRYPTOPORIC ACID E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H68O15
Molecular Weight	849.0124
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCC(=C)[C@H](CO[C@H]([C@H](CC(O)=O)C(=O)OC[C@]3(C)CCC[C@]4(C)[C@@H](CO[C@H]([C@H](CC(O)=O)C(=O)OC)C(=O)OC)C(=C)CC[C@@]34[H])C(=O)OC)[C@@]1(C)CCC[C@@]2(C)CO

InChI

InChIKey=PCFMECNNYYMDRS-VTRNTCPLSA-N

InChI=1S/C45H68O15/c1-26-12-14-32-42(3,24-46)16-10-18-44(32,5)30(26)22-59-37(41(54)57-9)29(21-35(49)50)39(52)60-25-43(4)17-11-19-45(6)31(27(2)13-15-33(43)45)23-58-36(40(53)56-8)28(20-34(47)48)38(51)55-7/h28-33,36-37,46H,1-2,10-25H2,3-9H3,(H,47,48)(H,49,50)/t28-,29-,30-,31-,32-,33-,36+,37+,42-,43-,44+,45+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C45H68O15
Molecular Weight	849.0124
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:46:51 GMT 2023` Edited by `admin` on `Sat Dec 16 08:46:51 GMT 2023`
Record UNII	4R12B7J65A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CRYPTOPORIC ACID E

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C860