mogrol

Chemical Formula:

C₃₀H₅₂O₄

Molecular Weight:

476.738 Daltons

Monoisotopic Mass:

476.3865601576 Daltons

SMILES:

CC(CCC(O)C(O)(C)C)[CH]1(CCC4(C1(C)CC(O)C2(C)([CH](CC=C3(C(C)(C)C(O)CC[CH]23))4))C)

InChI:

1S/C30H52O4/c1-18(9-13-24(32)27(4,5)34)19-15-16-28(6)22-12-10-20-21(11-14-23(31)26(20,2)3)30(22,8)25(33)17-29(19,28)7/h10,18-19,21-25,31-34H,9,11-17H2,1-8H3/t18-,19-,21-,22+,23+,24-,25-,28+,29-,30+/m1/s1

InChIKey:

JLYBBRAAICDTIS-AYEHCKLZSA-N

Synonyms

(23R)-cucurbit-5-ene-3β,11α,23,25-tetraol

Databases

MetaCyc: CPD-20463

ChEBI: 138974

PubChem (CID): 14525327