ergosteryl oleate

Chemical Formula:

C₄₆H₇₆O₂

Molecular Weight:

661.105 Daltons

Monoisotopic Mass:

660.5845316838 Daltons

SMILES:

CCCCCCCCC=CCCCCCCCC(OC4(CCC1(C)(C(=CC=C2([CH]1CCC3(C)([CH](C(C=CC(C)C(C)C)C)CC[CH]23)))C4)))=O

InChI:

1S/C46H76O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h15-16,24-27,35-37,39,41-43H,8-14,17-23,28-34H2,1-7H3/b16-15-,25-24+/t36-,37+,39-,41+,42-,43-,45-,46+/m0/s1

InChIKey:

VVZNLLXLOKRQPH-NZIRWOIASA-N

Synonyms

22E-ergosta-5,7,22-trien-3β-yl (9Z)-octadec-9-enoate

Databases

MetaCyc: CPD-16017

PubChem (CID): 25271616

ChemSpider: 23107000

ChEBI: 52377

RefMet: Ergosteryl oleate

MetaNetX: MNXM52466